N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H19N5OS — CID 139502489

IUPACN-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CSc2cnc3ccoc3c2)C1
InChIInChI=1S/C19H19N5OS/c1-24(19-15-2-4-20-18(15)22-11-23-19)13-6-12(7-13)10-26-14-8-17-16(21-9-14)3-5-25-17/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,20,22,23)
InChIKeyVYAVOJWTJZFFEW-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.11
Rot. Bonds5

About N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139502489) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139502489
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CSc2cnc3ccoc3c2)C1
InChIInChI=1S/C19H19N5OS/c1-24(19-15-2-4-20-18(15)22-11-23-19)13-6-12(7-13)10-26-14-8-17-16(21-9-14)3-5-25-17/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,20,22,23)
InChIKeyVYAVOJWTJZFFEW-UHFFFAOYSA-N
XLogP4.11
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 139502489) is N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CC(CSc2cnc3ccoc3c2)C1.
What is the InChIKey of N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VYAVOJWTJZFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-24(19-15-2-4-20-18(15)22-11-23-19)13-6-12(7-13)10-26-14-8-17-16(21-9-14)3-5-25-17/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,20,22,23).
What are the key properties of N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 365.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furo[3,2-b]pyridin-6-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139502489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).